N-[6-chloro-2-[2-oxo-2-(3-piperidin-1-ylazetidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C24H24ClF3N6O2 — CID 118182518

IUPACN-[6-chloro-2-[2-oxo-2-(3-piperidin-1-ylazetidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CC(=O)N3CC(N4CCCCC4)C3)nc2cc1Cl)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H24ClF3N6O2/c25-17-10-19-15(9-20(17)30-23(36)18-5-4-6-21(29-18)24(26,27)28)11-34(31-19)14-22(35)33-12-16(13-33)32-7-2-1-3-8-32/h4-6,9-11,16H,1-3,7-8,12-14H2,(H,30,36)
InChIKeyHJOZGWBZVJYDDQ-UHFFFAOYSA-N
MW520.94 g/mol
LogP4.05
Rot. Bonds5

About N-[6-chloro-2-[2-oxo-2-(3-piperidin-1-ylazetidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-chloro-2-[2-oxo-2-(3-piperidin-1-ylazetidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118182518) has the molecular formula C24H24ClF3N6O2 and a molecular weight of 520.94 g/mol. Its IUPAC name is N-[6-chloro-2-[2-oxo-2-(3-piperidin-1-ylazetidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-chloro-2-[2-oxo-2-(3-piperidin-1-ylazetidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118182518
Molecular FormulaC24H24ClF3N6O2
Molecular Weight520.94 g/mol
Exact Mass520.16
IUPAC NameN-[6-chloro-2-[2-oxo-2-(3-piperidin-1-ylazetidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CC(=O)N3CC(N4CCCCC4)C3)nc2cc1Cl)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H24ClF3N6O2/c25-17-10-19-15(9-20(17)30-23(36)18-5-4-6-21(29-18)24(26,27)28)11-34(31-19)14-22(35)33-12-16(13-33)32-7-2-1-3-8-32/h4-6,9-11,16H,1-3,7-8,12-14H2,(H,30,36)
InChIKeyHJOZGWBZVJYDDQ-UHFFFAOYSA-N
XLogP4.05
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.94
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-[2-oxo-2-(3-piperidin-1-ylazetidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-chloro-2-[2-oxo-2-(3-piperidin-1-ylazetidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118182518) is N-[6-chloro-2-[2-oxo-2-(3-piperidin-1-ylazetidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-chloro-2-[2-oxo-2-(3-piperidin-1-ylazetidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-chloro-2-[2-oxo-2-(3-piperidin-1-ylazetidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc2cn(CC(=O)N3CC(N4CCCCC4)C3)nc2cc1Cl)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-chloro-2-[2-oxo-2-(3-piperidin-1-ylazetidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is HJOZGWBZVJYDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N6O2/c25-17-10-19-15(9-20(17)30-23(36)18-5-4-6-21(29-18)24(26,27)28)11-34(31-19)14-22(35)33-12-16(13-33)32-7-2-1-3-8-32/h4-6,9-11,16H,1-3,7-8,12-14H2,(H,30,36).
What are the key properties of N-[6-chloro-2-[2-oxo-2-(3-piperidin-1-ylazetidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-chloro-2-[2-oxo-2-(3-piperidin-1-ylazetidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 520.94 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-[2-oxo-2-(3-piperidin-1-ylazetidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118182518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).